1,1,1-trifluoro-N,4-dimethylpentan-2-amine

C7H14F3N — CID 55282385

IUPAC1,1,1-trifluoro-N,4-dimethylpentan-2-amine
SMILESCNC(CC(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)4-6(11-3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyWIJOAJGYJPBNOA-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.18
Rot. Bonds3

About 1,1,1-trifluoro-N,4-dimethylpentan-2-amine

1,1,1-trifluoro-N,4-dimethylpentan-2-amine (PubChem CID 55282385) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,4-dimethylpentan-2-amine
PubChem CID55282385
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1,1,1-trifluoro-N,4-dimethylpentan-2-amine
SMILESCNC(CC(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)4-6(11-3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyWIJOAJGYJPBNOA-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-Dimethyl-2-pentanamine
CID 16777019
rac-(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidine
CID 96734114
(2R)-1,1,1-trifluoro-4-methylpentan-2-amine hydrochloride
CID 135355035
(1-Cyclopropylethyl)(2,2,2-trifluoroethyl)amine
CID 3838271
(1-Cyclopropylethyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 91647809
(1-Cyclopropyl-2,2,2-trifluoroethyl)(methyl)amine hydrochloride
CID 154857202
1,1,1-Trifluoro-4-methylpentan-2-amine
CID 20505662
1,1-Difluoro-4-methylpentan-3-amine
CID 20766222
1,1,1-trifluoro-4-methyl-N-propan-2-ylpentan-3-amine
CID 21063755
3-Methyl-N-(2,2,2-trifluoroethyl)-1-butanamine
CID 21355403
(Pentan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24694812
(4-Methylpentan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24707346

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,4-dimethylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,4-dimethylpentan-2-amine (CID 55282385) is 1,1,1-trifluoro-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,4-dimethylpentan-2-amine is CNC(CC(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,4-dimethylpentan-2-amine?
The InChIKey is WIJOAJGYJPBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-5(2)4-6(11-3)7(8,9)10/h5-6,11H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N,4-dimethylpentan-2-amine?
1,1,1-trifluoro-N,4-dimethylpentan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 55282385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).